2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C8H8N6O3 — CID 66216413

IUPAC2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(C=O)nn2)o1
InChIInChI=1S/C8H8N6O3/c1-5-10-12-8(17-5)9-7(16)3-14-2-6(4-15)11-13-14/h2,4H,3H2,1H3,(H,9,12,16)
InChIKeyFNQZAVHUYHIGDA-UHFFFAOYSA-N
MW236.19 g/mol
LogP-0.58
Rot. Bonds4

About 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 66216413) has the molecular formula C8H8N6O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID66216413
Molecular FormulaC8H8N6O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(C=O)nn2)o1
InChIInChI=1S/C8H8N6O3/c1-5-10-12-8(17-5)9-7(16)3-14-2-6(4-15)11-13-14/h2,4H,3H2,1H3,(H,9,12,16)
InChIKeyFNQZAVHUYHIGDA-UHFFFAOYSA-N
XLogP-0.58
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
CID 62581966
2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 62054662
2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 62055140
1-[2-[(5-Methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059104
1-[2-Oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid
CID 62061051
1-(2-aminoethyl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide
CID 65945517
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 66191945
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 66192137
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66192976
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66194109
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 66205412
2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 66214232

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 66216413) is 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cn2cc(C=O)nn2)o1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is FNQZAVHUYHIGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O3/c1-5-10-12-8(17-5)9-7(16)3-14-2-6(4-15)11-13-14/h2,4H,3H2,1H3,(H,9,12,16).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 236.19 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 66216413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).